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84019-96-5 | 5(4H)-Oxazolone, 4-[(4-aminophenyl)methylene]-2-phenyl-
CAS No: 84019-96-5 Catalog No: AG004QFF MDL No:
Product Description
Catalog Number:
AG004QFF
Chemical Name:
5(4H)-Oxazolone, 4-[(4-aminophenyl)methylene]-2-phenyl-
CAS Number:
84019-96-5
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
IUPAC Name:
4-[(4-aminophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C16H12N2O2/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H,17H2
InChI Key:
VRNQDHJNYABNSZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C=C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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